4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-pyrrol-1-yl-quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-pyrrol-1-yl-quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-pyrrol-1-yl-quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(1-pyrrolyl)-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-pyrrol-1-ylquinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-pyrrol-1-yl-quinoline-3-carbonitrile Formula: C21H14Cl2N4O MolecularWeight: 409.26806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)N4C=CC=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)N4C=CC=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N4O/c1-28-20-10-19(16(22)9-17(20)23)26-21-13(11-24)12-25-18-8-14(4-5-15(18)21)27-6-2-3-7-27/h2-10,12H,1H3,(H,25,26)